[Wien] Error in elastic properties calculations

Qasim Mahmood qasimmahmoodg at gmail.com
Tue Oct 14 20:28:07 CEST 2014


After completion of SCF when do inilization in terminal for magnetic
material, what command we should do below like -up or etc. when I give the
command -up and select the spinpolarization, command not found appeared as
shown below and after running error in lapw1 occur. for magnetic material
what command i have to select. please guide me i shall be very thankful to
the wien2k users.

CREATE A NEW eos.inst FILE with PROPER ATOMS
 Eventually specify switches for instgen_lapw (or press ENTER):
 -up (default)   -dn   -nm (non-magnetic)   -ask


-----> do you want to perform a spinpolarized calculation ? (n/y)
y
>   dstart -up -c    (22:13:36) DSTART ENDS
1.792u 0.020s 0:01.88 96.2%    0+0k 0+1272io 0pf+0w
y: Command not found.
>   dstart -dn -c    (22:13:38) DSTART ENDS
1.792u 0.028s 0:01.83 98.9%    0+0k 0+1272io 0pf+0w
y: Command not found.


after executig  error like stop lapw1 appeared







*Best Regards*







*Mr.Qasim Mahmood*
*Ph.D Schollar, PU,Lahore,Pakistan*
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